N-cyclooctyl-1H-pyrazole-5-sulfonamide

C11H19N3O2S — CID 102691484

IUPACN-cyclooctyl-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NC1CCCCCCC1)c1ccn[nH]1
InChIInChI=1S/C11H19N3O2S/c15-17(16,11-8-9-12-13-11)14-10-6-4-2-1-3-5-7-10/h8-10,14H,1-7H2,(H,12,13)
InChIKeyYHDINWBMHWGVGI-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.80
Rot. Bonds3

About N-cyclooctyl-1H-pyrazole-5-sulfonamide

N-cyclooctyl-1H-pyrazole-5-sulfonamide (PubChem CID 102691484) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-cyclooctyl-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-cyclooctyl-1H-pyrazole-5-sulfonamide
PubChem CID102691484
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-cyclooctyl-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NC1CCCCCCC1)c1ccn[nH]1
InChIInChI=1S/C11H19N3O2S/c15-17(16,11-8-9-12-13-11)14-10-6-4-2-1-3-5-7-10/h8-10,14H,1-7H2,(H,12,13)
InChIKeyYHDINWBMHWGVGI-UHFFFAOYSA-N
XLogP1.80
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclooctyl-1H-pyrazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cycloheptyl-1H-pyrazole-5-sulfonamide
CID 102691549
N-(4-bromocyclohexyl)-1H-pyrazole-5-sulfonamide
CID 102694021
N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-sulfonamide
CID 102693697
N-[(1S,2S)-2-hydroxycyclohexyl]-1H-pyrazole-5-sulfonamide
CID 102739144
N-(cyclohexylmethyl)-1H-pyrazole-5-sulfonamide
CID 102691651
N-(2-amino-1-cyclohexylethyl)-1H-pyrazole-5-sulfonamide
CID 102690413
N-(2-methylcyclopropyl)-1H-pyrazole-5-sulfonamide
CID 102692944
N-[2-(bromomethyl)cyclopentyl]-1H-pyrazole-5-sulfonamide
CID 106367494
N-(2,2-dimethylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 102693183
N-[2-(hydroxymethyl)cyclopentyl]-1H-pyrazole-5-sulfonamide
CID 106364162
N-(2,2-diethyloxan-4-yl)-1H-pyrazole-5-sulfonamide
CID 102693289
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-sulfonamide
CID 102692407

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-cyclooctyl-1H-pyrazole-5-sulfonamide (CID 102691484) is N-cyclooctyl-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-cyclooctyl-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-cyclooctyl-1H-pyrazole-5-sulfonamide is O=S(=O)(NC1CCCCCCC1)c1ccn[nH]1.
What is the InChIKey of N-cyclooctyl-1H-pyrazole-5-sulfonamide?
The InChIKey is YHDINWBMHWGVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c15-17(16,11-8-9-12-13-11)14-10-6-4-2-1-3-5-7-10/h8-10,14H,1-7H2,(H,12,13).
What are the key properties of N-cyclooctyl-1H-pyrazole-5-sulfonamide?
N-cyclooctyl-1H-pyrazole-5-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).